Information card for entry 4101740

Structure parameters

• Formula: C143 H195 B4 Cl4 Co4 Fe4 N81 O37
• Calculated formula: C143 H186.1 B4 Cl4 Co4 Fe4 N81 O37
• Title of publication: Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.
• Authors of publication: Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Journal issue: 1
• Pages of publication: 252 - 258
• a: 25.0653 ± 0.0003 Å
• b: 23.4624 ± 0.0003 Å
• c: 34.8074 ± 0.0006 Å
• α: 90°
• β: 102.365 ± 0.0006°
• γ: 90°
• Cell volume: 19995.1 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1762
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No